SCHEMBL13625502

SCHEMBL13625502

CC(=O)NCCn1cc(CN(C(=O)[C@@H]2CCCNC2)C2CC2)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 18/20 0.58
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13625581 0.80 REN (0.47) RENTP53SMN1; SMN2
SCHEMBL13131785 0.80 REN (0.85) REN
SCHEMBL13625485 0.80 REN (0.49) RENTP53SMN1; SMN2
SCHEMBL1518536 0.79 REN (0.78) REN
SCHEMBL1518538 0.79 REN (0.78) REN
SCHEMBL13625851 0.79 REN (0.78) REN
SCHEMBL1518534 0.79 REN (0.78) REN
SCHEMBL12764105 0.79 REN (0.78) REN
SCHEMBL13625497 0.78 REN (0.48) REN
SCHEMBL13625588 0.78 REN (0.55) REN

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009135299-A1 3, 4 - SUBSTITUTED PIPERIDINE DERIVATIVES AS RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2009-11-12 WO disclosed